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3-1 Thermodynamic Model 17 Lampe et. al. [5] have considered the pure component parameters (m, σi, ǫi/k) as variables for the optimization problem. However, as a first step towards developing this tool, the segment number (m) has been considered as the only optimization variable for the fluid and the other parameters are represented as polynomial functions of the segment number illustrated in Figure 3-1(a), Figure 3-1(b) and Figure 3-1(c). Mixtures of siloxanes and polar contributions have not been considered in this work but they can be readily integrated in the future. Table 3-2: Coefficents for ideal gas specific heat capacity based on equation (3-1) [37] Fluid Short Name D4 D5 D6 MM MDM MD2M MD3M MD4M A [J/mol-K] 84.936 90.971 134.789 51.894 -6.164 -10.805 -15.425 -20.071 B 103 [J/mol-K2 ] 1086.740 1564.410 1738.840 741.340 1184.230 1532.360 1880.400 2228.540 C 106 [J/mol-K3 ] -512.950 -1091.370 -1049.940 -416.100 -679.873 -889.822 -1110.060 -1311.430 D 109[J/mol-K4] 22.309 340.089 256.444 70.000 145.228 192.240 239.210 286.228 2.5 2 1.5 1 0.5 4 4.5 5 5.5 6 6.5 7 7.5 Segment Number [−] MM MDM D4 D5 MD2M D6 MD3M MD4M Figure 3-2: Linear fit of the multiplication factor for each siloxane In order to calculate the output power and enthalpies for a hypothetical fluid, it is essential to define the coefficients of the ideal gas heat capacity. Table 3-2 lists the coefficients for the ideal gas heat capacity which is based on the following equation: Cp =A+BT+CT2+DT3 (3-1) where T is the temperature (in K). In the absence of a model to predict the ideal gas heat capacity of the hypothetical fluid from PCP-SAFT parameters, a representative polynomial function has been derived. MM is the most basic fluid in the siloxane family as it has the smallest segment number as seen in Table 3-1. A multiplication factor has been defined for each fluid which is an average of the ratio of the Cp of each fluid and Cp of MM at the Master of Science Thesis Akshay Hattiangadi Multiplication Factor [−]PDF Image | Working Fluid Design for Organic Rankine Cycle
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